5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine

C16H19ClFN3 — CID 134714092

IUPAC5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
SMILESCC(C)(C)CC(Nc1ncc(Cl)cc1F)c1cccnc1
InChIInChI=1S/C16H19ClFN3/c1-16(2,3)8-14(11-5-4-6-19-9-11)21-15-13(18)7-12(17)10-20-15/h4-7,9-10,14H,8H2,1-3H3,(H,20,21)
InChIKeyUVDODQMAIFYBKW-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.86
Rot. Bonds4

About 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine

5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine (PubChem CID 134714092) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
PubChem CID134714092
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
SMILESCC(C)(C)CC(Nc1ncc(Cl)cc1F)c1cccnc1
InChIInChI=1S/C16H19ClFN3/c1-16(2,3)8-14(11-5-4-6-19-9-11)21-15-13(18)7-12(17)10-20-15/h4-7,9-10,14H,8H2,1-3H3,(H,20,21)
InChIKeyUVDODQMAIFYBKW-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97192507
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788
4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95721377
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 79728229
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
CID 121014902
N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707471
5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 105059599
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176502635
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
2-N-(5-chloro-3-fluoro-2-pyridinyl)butane-1,2-diamine
CID 79728574
4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
CID 46990527

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine (CID 134714092) is 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine is CC(C)(C)CC(Nc1ncc(Cl)cc1F)c1cccnc1.
What is the InChIKey of 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine?
The InChIKey is UVDODQMAIFYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-16(2,3)8-14(11-5-4-6-19-9-11)21-15-13(18)7-12(17)10-20-15/h4-7,9-10,14H,8H2,1-3H3,(H,20,21).
What are the key properties of 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine?
5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 134714092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).